Research Overview

I. Functional simulation of bio-nanomachine

We investigate functional mechanism of biological nano-machine. We simulate the behavior of biological system including nano-machines and solvent molecules in silico in atomic detail by using molecular dynamics simulation.

II. Dissociation and association dynamics of biomolecules

Complex formation and dissocation are essential steps for regulating biomolecular function. We investigate dissociation and association dynamics of biomolecules and reveal their mechanisms.

III. Development of more efficient and accurate simulation methods

We develop new molecular simulation methods by which system containing multiple biopolymers can be simulated effectively. Also, we have been developing the methods to analyze simulation results and extract functionally important conformational motion in proteins.